dimethyl 2,6-dimethyl-4-(3-methylsulfonylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 2,6-dimethyl-4-(3-methylsulfonylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 2,6-dimethyl-4-(3-methylsulfonylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-methylsulfonylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2,6-dimethyl-4-(3-methylsulfonylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-mesylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C18H21NO6S MolecularWeight: 379.42744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C18H21NO6S/c1-10-14(17(20)24-3)16(15(11(2)19-10)18(21)25-4)12-7-6-8-13(9-12)26(5,22)23/h6-9,16,19H,1-5H3